Basic information
- Standard SMILES
Cc1nn(-c2ccccc2)c(Sc2cc(Cl)cc(Cl)c2)c1C(O)c1ccccc1- InChIKey
PXJZTWQGYYERLN-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N2OS
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 440.0516898
Names & identifiers
- Preferred name
- [5-(3,5-dichlorophenylthio)-3-methyl-1-phenyl-1H-pyrazol-4-yl]-phenyl-methanol
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanol
Names & synonyms
SCHEMBL5643082PXJZTWQGYYERLN-UHFFFAOYSA-N[5-(3,5-dichlorophenylthio)-3-methyl-1-phenyl-1H-pyrazol-4-yl]-phenyl-methanol
Database identifiers
- PubChem CID
- 10275058
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 505
Related reactions
6 records
Compound notes
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